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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

WHA Sphere Impacting RHA Plate: Modeling Brittle Behavior in Metal Alloys

Brittle behavior of metal alloys is often critical to modeling ballistic impact and penetration. The ALEGRA multiphysics finite element software incorporates calibrated models for the equation of state, elasticity, yield stress, plasticity and fracture, but simulations do not always capture expected metal fracture. Here we report concerted efforts to do so for one important case where experiments clearly show shear fractures: a tungsten sphere impacting a steel plate at various angles. Our best simulations show fractures that are qualitatively similar to experiments, but there are significant differences in quantitative metrics. Specifically, velocities of tracers used to quantify simulated plug parameters consistently fall short of measured plug velocities. Also, simulated plugs break apart more than expected from experimental evidence. We attribute these shortfalls to the lack of an explicit shear fracture mechanism in the material models, leading to over-estimated resistance to plug formation and movement.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Adaptive Mesh Refinement Large Eddy Simulation of the Supercritical Carbon Dioxide Round Turbulent Jet

Supercritical carbon dioxide (sCO2) is of interest to a range of engineering problems, including carbon capture, utilization, and storage (CCUS) as well as advanced cycles for power generation. Non-ideal variations in physical properties of sCO2 impact the physics of these systems. In this study, we simulate turbulent sCO2 jets to gain a better understanding of these physics.We use a second order finite volume method with adaptive mesh refinement as implemented in the first-principles simulation code PeleC to perform a Large Eddy Simulation (LES) of three turbulent jets of sCO2. Additionally, we use the Soave-Redlich-Kwong equation of state to close the system and examine the impact of a cubic equation of state on the turbulent flow physics. We look at velocity and Reynolds stress profiles at different downstream locations for three cases in which the temperature of the jet andthat of the ambient fluid differ in order to capture the effects of widely varying thermal properties in the pseudocritical region. These results are then contrasted with established theory for ideal gas jets.

adaptive mesh refinement↗
DOE OSTI2025

Packaging a 650V/400A GaN Half-bridge Power Module with Ultra-low Parasitics for Electric Vehicle Drive Applications

This paper proposes a compact and efficient half-bridge power module with three 650 V / 150 A GaN dies in parallel. The power module incorporates a main power printed circuit board (PCB), an interface PCB, and a flex PCB to achieve low parasitics in both power loop and gate-side connection, resolving the issue of high parasitics typically encountered with wire bonding in high-current applications. Additionally, the interface PCB decouples the design constraints between the power loop and the gate loops. The proposed design is optimized with a vertical loop configuration to reduce power loop inductance through magnetic flux cancellation. Finite element analysis indicates that the power loop inductance is 0.58 nH at 100 MHz, while the maximum die junction temperature reaches 131 °C under an ambient temperature of 65 °C and a load current of 385 A. The proposed multi-piece PCB structure reduces the inductance of the drive circuit to minimize EMI and to mitigate false triggering. At the same time, it reduces impedance mismatches across different driver circuits, thereby achieving dynamic current sharing in multi-chip parallel configurations. Under simulation conditions of 400 V / 385 A, the current imbalance among chips was limited to 5 A. A 400 V / 385 A double-pulse test was conducted to experimentally validate the performance of the proposed power module.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Submerging islands through thermalization

We illustrate scenarios in which Hawking radiation collected in finite regions of a reservoir provides temporary access to the interior of black holes through transient entanglement “islands.” Whether these islands appear and the amount of time for which they dominate — sometimes giving way to a thermalization transition — is controlled by the amount of radiation we probe. In the first scenario, two reservoirs are coupled to an eternal black hole. The second scenario involves two holographic quantum gravitating systems at different temperatures interacting through a Rindler-like reservoir, which acts as a heat engine maintaining thermal equilibrium. The latter situation, which has an intricate phase structure, describes two eternal black holes radiating into each other through a shared reservoir.

2D gravity↗
DOE OSTI2024

Heat transfer optimization of uo 2 -mo fuel using genetic algorithms

Two genetic algorithm (GA) methods were applied to thermal finite element models to optimize the heat transfer efficacy of a UO 2 -Mo composite fuel pellet with typical pressurized water reactor fuel geometry. Mo additions to UO 2 have been shown to increase the thermal conductivity, thus reducing centerline temperatures and temperature gradients. Previous studies evaluated uniformly dispersed Mo or continuous Mo internal geometries (e.g., fins, plates, discs) that were selected using engineering intuition. The current study uses two different implementations of the same GA to optimize Mo placement and minimize the fuel temperature with the only constraint being a maximum 10% Mo volume fraction. One approach superimposed Mo line elements onto the monolithic UO 2 pellet model, and the other converted entire UO 2 volume elements to Mo. The former method generated 1D heat transfer connections between nodes, whereas the latter method allowed for the formation of 3D structures. Features of the optimal fuel design produced by the GAs included dispersed Mo near the centerline that shifted the peak fuel temperature outward by 0.6 mm, Mo chains in the high-heat-flux region in the mid-to-outer radial zone, and a large continuous structure that spanned the full radius and height of the pellet and accounted for 87.7 % of the total Mo in the pellet. Analysis of this design indicates that the optimal Mo configuration is a balance between creating continuous heat transfer pathways and optimally dispersing Mo to minimize the heat transfer distance through UO 2 . This architecture ultimately produced an effective thermal conductivity of 11.3 W/m·K under the assumed boundary conditions. This result is higher than any previous values from the literature. In conclusion, potential fabrication methods and challenges are discussed in addition to the implications on fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Anomalous Resistivity and Electron Heating by Lower Hybrid Drift Waves during Magnetic Reconnection with a Guide Field

The lower hybrid drift wave (LHDW) has been a candidate for anomalous resistivity and electron heating inside the electron diffusion region of magnetic reconnection. In a laboratory reconnection layer with a finite guide field, quasielectrostatic LHDW (ES-LHDW) propagating along the direction nearly perpendicular to the local magnetic field is excited in the electron diffusion region. ES-LHDW generates large density fluctuations ($δn_{\text e}$, about 25% of the mean density) that are correlated with fluctuations in the out-of-plane electric field ($δE_Y$, about twice larger than the mean reconnection electric field). With a small phase difference (~ 30°) between two fluctuating quantities, the anomalous resistivity associated with the observed ES-LHDW is twice larger than the classical resistivity and accounts for 20% of the mean reconnection electric field. After we verify the linear relationship between $δn_{\text e}$ and $δE_Y$, anomalous electron heating by LHDW is estimated by a quasilinear analysis. The estimated electron heating is about 2.6 ± 0.3 MW / m 3 , which exceeds the classical Ohmic heating of about 2.0 ± 0.2 MW / m 3 . This LHDW-driven heating is consistent with the observed trend of higher electron temperatures when the wave amplitude is larger. Finally, presented results provide the first direct estimate of anomalous resistivity and electron heating power by LHDW, which demonstrates the importance of wave-particle interactions in magnetic reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A Machine Learning–Based Tire Life Prediction Framework for Increasing Life of Commercial Vehicle Tires

In the commercial freight industry, tire retreading decisions are often conservative due to limited knowledge of a tire’s remaining service life. This practice leads to increased costs and material waste. This paper proposes a machine learning–based approach for estimating tire casing life and retreadability, focusing on usage data rather than wear information. This approach could extend the tire’s lifespan and reduce landfill waste. Data integration from diverse tire casing measurement sources presents challenges, including imbalanced removal data. Our methodology addresses these challenges by using historical inspection, telematics, and finite element modeling (FEM) datasets. We introduce “Tire Casing Energy” as a comprehensive usage input and apply a Variance-Reduction Synthetic Minority Oversampling Technique (VR-SMOTE) for data imbalance rectification. A random forest model is used to estimate the state of the tire casing and the casing removal probability, with Bayesian optimization applied for hyperparameter tuning, enhancing model accuracy. Here, the proposed prediction framework is able to differentiate different truck fleets and tire locations based on their usage parameters. With the aid of this machine learning model, the importance and sensitivity of different tire usage parameters can be obtained, which is beneficial to maximize tire life.

Data balancing↗
DOE OSTI2022

Time-dependent THMC properties and microstructural evolution of damaged rocks in excavation damage zone

Modeling coupled thermo-hydro-mechanical-chemical (THMC) processes in host rocks near high-level nuclear waste (HLW) repositories at various time scales is an extremely challenging task. The current study integrates experimental, theoretical, and numerical methods in assessing the evolution of excavation damage zone (EDZ) over time and its implication on the long-term migration of hazardous species. Argillite and rock salt and are the focus of this study. The first part of the report presents a novel time-dependent directional microcrack damage theory for generic brittle rocks. It features detailed statistical description of the microcracks within a damaged solid, permitting a direct upscaling of microscale processes such as crack growth kinetics, crack closure/opening, sliding friction to explain the macroscopic creep, nonlinear elasticity, shear dilation, and loading-unloading hysteresis. This provides a basic platform for describing the anisotropic mechanical and transport properties of damaged rocks during excavation and subsequent THMC loadings. The model is validated and numerically implemented to Finite Element (FE) package ABAQUS through the user-defined material (UMAT) interface and have demonstrated great potential in resolving the time-dependent and anisotropic evolution of damage in the EDZ. The second part of the report presents a multi-scale experimental effort in characterizing the thermal, hydraulic, and mechanical properties of Mancos shale and Avery Island salt. For the Mancos shale, triaxial compression tests are performed at different confining pressures and temperatures to probe its thermomechanical properties relevant to HLW repositories. The obtained stress-strain data are interpreted using the proposed directional damage theory. Post-test specimens are subjected to gas permeability tests to reveal the correlation between permeability and the degree of microcracking. At microscale, temperature-controlled nanoindentation tests are performed and found a linear correlation between fracture toughness and elastic modulus from 25°C to 300°C. For Avery Island salt, we have designed and manufactured a novel relative-humidity controlled uniaxial creep device. Long-term creep tests at low stresses (< 5 MPa) are performed at different levels of relative humidity (RH). Besides confirming the much higher creep rates as one would expect through extrapolating the high-stress creep data, the results reveal that the steady-state creep rate of rock salt is strongly dependent on the ambient RH, an aspect that is often neglected in the literature. Both behaviors can be attributed to the pressure-solution creep mechanism which dominates at low stress and high RH levels. The third part of the report explores a set of numerical strategies in modeling the THMC behavior of porous geomaterials. A fully implicit, monolithic FE solution that can flexibly interface with different material models and coupling mechanisms for THMC problems is developed and verified through the ABAQUS user-defined element (UEL) interface. The scheme is used to study the THM response of a hypothetical HLW storage site with reference to an existing in-situ heater test. Strategies for integrating the UEL and the microcrack UMAT are suggested. Another numerical endeavor of this study is to implement a higher-order asymptotic homogenization method to account for the heterogeneous porous structures. The same method is then extended to perform microstructure-informed thermo-mechanical modeling of generalized continua. The above outcomes of this project provide a strong thrust towards enhancing the fundamental understanding and modeling capability of the long-term evolution of host rocks in EDZ, thus helping achieve the design goal of 1-million-year isolation of high-level nuclear wastes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Radio-Frequency Rapid Thermal Processing Enabling Spatial Phase Transformation and Nanocrystallization of Soft Magnetic Amorphous Alloys

Thermal processing of soft magnetic amorphous and nanocrystalline alloys is explored under the influence of radio-frequency induction-heating techniques. Direct induction-heating concepts based on longitudinal and transverse flux heating are examined and the details of electromagnetic fields interaction with metallic strips are discussed by analytical calculations as well as finite element analysis. Initial experimental results confirming spatial control of phase transformations and nanocrystallization within a single strip of Finemet Fe-based amorphous ribbons are reported. Here, the degree to which primary and secondary crystallization temperature are achieved depends on the spacing between the ribbon relative to the induction coil as well as the coil design and configuration. For transverse coil configurations, the local temperature and therefore microstructural evolution is different across the lateral dimension of processed ribbons, with reduced gap sizes producing enhanced peak temperatures and larger temperature distributions with greater spatial variation in microstructure. In addition, indirect susceptor-based induction heating under tension is performed and the impact of microstructure is demonstrated. Herein, potential for exploiting spatially optimized phase transformations is illustrated through electromagnetic field–assisted processing in a scalable manufacturing process with amorphous and nanocrystalline soft magnetic alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigating the Interaction Between Circulating Tumor Cells and Local Hydrodynamics via Experiment and Simulations

Introduction: The biological and mechanical properties of circulating tumor cells (CTCs) in combination with the hemodynamics affect the preference of metastatic sites in the vasculature. Despite the extensive literature on the effects of biological properties on cell adhesion, the effects of hydrodynamic forces on primary attachment remains an active area of research. Here, using simulations in conjunction with experimentation, we provide new insight into the interplay of CTCs dynamics and local hydrodynamics. Methods: A flow experiment of CTC attachment was performed within a bioprinted, double branching endothelialized vessel. Simulations of fluid flow and CTC transport in the reconstructed and idealized bifurcated vessel were respectively performed by HARVEY, our in-house massively parallel computational fluid dynamics solver. HARVEY is based on the lattice Boltzmann and finite element methods to model the fluid and cells dynamics. The immersed boundary method is employed for resolving the fluid–structure interaction. Results: CTC attachment was quantified experimentally at all regions of the complex vessel. The results demonstrate a clear preference for CTCs to attach at the branch points. To elucidate the effect of the vessel topology on the location of attachment, a fluid-only simulation was performed assessing the differences in the hydrodynamics along the vessel. CTC transport in idealized bifurcated vessels was subsequently studied to examine the effects of cell deformability on the local hydrodynamics patterns and, thus, the preference of attachment sites. Conclusions: The current work provides evidence on the correlation of the hydrodynamics forces arising from the vessel topology and CTC properties on the attachment regions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Bipolar Membranes with an Electrospun 3D Junction

Freestanding bipolar membranes (BPMs) with an entirely new and transformative morphology were fabricated and characterized. The key disruptive design element was a water-splitting/water-generation junction layer of finite thickness composed of interwoven and interlocking electrospun anion-exchange polymer (AEP) fibers and cation-exchange polymer (CEP) fibers. Methods were developed to sandwich the 3D junction layer between two pre-formed dense AEP and CEP films., with the closure of all interfiber voids, where the processing steps are easily incorporated into a commercial roll-to-roll membrane manufacturing scheme. A series of membranes were made using different polymers and junction layers to identify the optimum morphology and composition for water-splitting and water-generation applications. For water splitting, the 3D junction BPMs worked remarkably well with operating current densities at/above 1.0 A/cm2 (10X greater than commercial BPMs) at a transmembrane voltage drop of only 1.1 V. In water generation mode, the 3D junction BPMs operated at 0.5 A/cm2, a world-record current density. The membranes were found to exhibit outstanding durability and can be manufactured at scale for low cost. The high operating current densities and stable long-term operation are due to the 3D junction layer design, where there is a high interfacial area for water splitting or water generation reactions and where the interlocking fibers prevent delamination of the outer films. These new BPMs are ideal candidate materials for both existing water-splitting electrodialysis separations and new electrochemical processes, such as large-scale direct air capture of CO 2 , reactors for CO 2 reduction, self-hydrating fuel cells, and redox flow batteries.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Robust block preconditioners for poroelasticity

In this paper we develop and analyze several preconditioners for the linear systems arising from discretized poroelasticity problems. The preconditioners include one block preconditioner for the two-field Biot model and several preconditioners for the classical three-field Biot model. We manage to analyze these different preconditioners under a same theoretical framework and show that all of them are uniformly optimal with respect to material and discretization parameters. Numerical tests demonstrate the robustness of these preconditioners.

42 ENGINEERING↗
DOE OSTI2021

A theoretical approach for transient shock strengthening in high-energy-density laser compression experiments

In high-energy-density shock compression experiments, the desired state of compression is typically achieved by passing shock waves through a sequence of different materials. Here, a theoretical approach for transiently strengthening such shocks passing through interfaces of experimentally relevant impedance ratios is examined. A semi-analytical method based on characteristics analysis is used to solve the problem of a shock passing from one material to another through an intermediate region of non-uniform impedance; by appropriately designing this region, a greater shock strength can be achieved in the second material for a finite duration than in the absence of this region. When a shock passes into a material of higher impedance, the shock strengthening increases to a maximum before decreasing to an asymptotic value as the strength of the incident shock is increased. For shocks passing into materials of decreasing impedance, the shock strengthening increases monotonically as the strength of the incident shock is increased when the impedance ratio is above a critical threshold. Incorporating multiple intermediate materials can further increase the strength of the transmitted shock, with an exponential discretization of intermediate material impedances being the most effective distribution for strengthening strong shocks. The results suggest that up to 25% and 9% increases in pressure behind the leading shock can be achieved for materials of increasing and decreasing impedance, respectively. The technique is applied to the design of laser-driven dynamic compression experiments, and the results of the analysis are verified via comparison to simulations performed with the HYADES hydrodynamics code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Correlating confinement to topological fluctuations near the crossover transition in QCD

We show the existence of strong (anti)correlations between the topological hot spots and the local values of the trace of the Polyakov loop in 2 + 1 flavor QCD with physical quark mass, in the vicinity of the crossover transition corresponding to the simultaneous restoration of chiral symmetry and deconfinement. Using sophisticated lattice techniques, we have carefully identified the topological hot spots using quark zero modes and measured the short-distance fluctuations of the Polyakov loop about them, showing how the latter is repelled quite strongly around the peak of the zero modes. Though we could explain some aspects of these correlations within the instanton-dyon picture, our work sets the stage for a larger goal towards a systematic study of the role of different topological species that interact with the Polyakov loop, establishing the strong connection between topology and confinement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Three-body resonances in the φ 4 theory

We study the properties of three-body resonances using a lattice complex scalar φ4 theory with two scalars, with parameters chosen such that one heavy particle can decay into three light ones. We determine the two- and three-body spectra for several lattice volumes using variational techniques, and then analyze them with two versions of the three-particle finite-volume formalism: the Relativistic Field Theory approach and the Finite-Volume Unitarity approach. We find that both methods provide an equivalent description of the energy levels, and we are able to fit the spectra using simple parametrizations of the scattering quantities. By solving the integral equations of the corresponding three-particle formalisms, we determine the pole position of the resonance in the complex energy plane and thereby its mass and width. We find very good agreement between the two methods at different values of the coupling of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Model-based and Model-free Designs for an Extended Continuous-time LQR with Exogenous Inputs

We present an extended linear quadratic regulator (LQR) design for continuous-time linear time-invariant (LTI) systems in the presence of exogenous inputs. We first propose a model-based solution with cost minimization guarantees for states and inputs using dynamic programming (DP). The control law consists of a combination of the optimal state feedback and an additional optimal term dependent on the exogenous inputs. The control gains for the two components are obtained by solving a set of matrix differential equations. We provide these solutions for both finite horizons and steady-state cases. In the second part of the paper, we formulate a reinforcement learning (RL) based algorithm which does not need any model information except the input matrix, and can compute an approximate steady-state LQR gain using measurements of the states, the control inputs, and the exogenous inputs. Both model-based and data-driven optimal control algorithms are tested with a numerical example under different exogenous inputs showcasing the effectiveness of the designs.

Mukherjee, Sayak↗
DOE OSTI2020

Cumulene Wires Display Increasing Conductance with Increasing Length

One-dimensional sp-hybridized carbon wires, including cumulenes and polyynes, can be regarded as finite versions of carbynes. They are likely to be good candidates for molecular-scale conducting wires as they are predicted to have a high-conductance. In this study, we first characterize the single-molecule conductance of a series of cumulenes and polyynes with a backbone ranging in length from 4 to 8 carbon atoms, including [7]cumulene, the longest cumulenic carbon wire studied to date for molecular electronics. We observe different length dependence of conductance when comparing these two forms of carbon wires. Polyynes exhibit conductance decays with increasing molecular length, while cumulenes show a conductance increase with increasing molecular length. Their distinct conducting behaviors are attributed to their different bond length alternation, which is supported by theoretical calculations. Furthermore, this study confirms the long-standing theoretical predictions on sp-hybridized carbon wires and demonstrates that cumulenes can form highly conducting molecular wires.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Diffusioosmotic flow reversals due to ion–ion electrostatic correlations

Existing theories of diffusioosmosis have neglected ion–ion electrostatic correlations, which are important in concentrated electrolytes. Here, we develop a mathematical model to numerically compute the diffusioosmotic mobilities of binary symmetric electrolytes across low to high concentrations in a charged parallel-plate channel. We use the modified Poisson equation to model the ion–ion electrostatic correlations and the Bikerman model to account for the finite size of ions. We report two key findings. First, ion–ion electrostatic correlations can cause a unique reversal in the direction of diffusioosmosis. Such a reversal is not captured by existing theories, occurs at ≈ 0.4 M for a monovalent electrolyte, and at a much lower concentration of ≈ 0.003 M for a divalent electrolyte in a channel with the same surface charge. This highlights that diffusioosmosis of a concentrated electrolyte can be qualitatively different from that of a dilute electrolyte, not just in its magnitude but also its direction. Second, we predict a separate diffusioosmotic flow reversal, which is not due to electrostatic correlations but the competition between the underlying chemiosmosis and electroosmosis. This reversal can be achieved by varying the magnitude of the channel surface charge without changing its sign. However, electrostatic correlations can radically change how this flow reversal depends on the channel surface charge and ion diffusivity between a concentrated and a dilute electrolyte. Furthermore, the mathematical model developed here can be used to design diffusioosmosis of dilute and concentrated electrolytes, which is central to applications such as species mixing and separation, enhanced oil recovery, and reverse electrodialysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗